Study : bsu16780 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: C5P_B_9(5A0V) / Model_24(5A0V/B) = [3.2] Download878.92-2.92MKKKNTENVRIIALGGVGEIGKNLYVIEIDSDIFVVDAGLMHPENEMLGIDVVIPDISYLIERADRVKAIFLTHGHDENIGGVFYLLNKLSVPVYGTKLTLALLREKLKQYGHNRKTDLREIHSKSVITFESTKVSFFRTIHSIPDSVGVSFKTSLGSIVCTGDFKFDQTPALNQTCDIGEIAKIGNSGVLALLSDSANAERPGYTPSEAAVSGEISDALYNSQNRVIIAVFASNINRIQQVIHAAAQNGRKIAVAGKNLQSVLQLARKLGYIEADDELFISVQDVKKYPKREVAIITAGSQGEPLAALTRMANKAHKQLNIEEGDTVVIASTPIPGQELIYSKTVDLLARAGAQVIFAQKRVHVSGHGSQEELKLMINLLKPKYLIPVNGEYRMQKAHSKIAEETGMKRSDIFLIEKGDVVEFRGQNVKIGDKVPYGNILIDGLGVGDIGNIVLRDRRLLSQDGILIVVITLDKQKKHLVSGPEIITRGFVYVRESEGLIVQATELVRSIVTEATETSNVEWSTLKQAMRDALNQFLYEKTKRKPMIIPIIMEV
Complex: U5P_B_12(4XWT) / Model_27(4XWT/B) = [3.3] Download956.681.15MKKKNTENVRIIALGGVGEIGKNLYVIEIDSDIFVVDAGLMHPENEMLGIDVVIPDISYLIERADRVKAIFLTHGHDENIGGVFYLLNKLSVPVYGTKLTLALLREKLKQYGHNRKTDLREIHSKSVITFESTKVSFFRTIHSIPDSVGVSFKTSLGSIVCTGDFKFDQTPALNQTCDIGEIAKIGNSGVLALLSDSANAERPGYTPSEAAVSGEISDALYNSQNRVIIAVFASNINRIQQVIHAAAQNGRKIAVAGKNLQSVLQLARKLGYIEADDELFISVQDVKKYPKREVAIITAGSQGEPLAALTRMANKAHKQLNIEEGDTVVIASTPIPGQELIYSKTVDLLARAGAQVIFAQKRVHVSGHGSQEELKLMINLLKPKYLIPVNGEYRMQKAHSKIAEETGMKRSDIFLIEKGDVVEFRGQNVKIGDKVPYGNILIDGLGVGDIGNIVLRDRRLLSQDGILIVVITLDKQKKHLVSGPEIITRGFVYVRESEGLIVQATELVRSIVTEATETSNVEWSTLKQAMRDALNQFLYEKTKRKPMIIPIIMEV
Complex: U5P_A_8(4XWT) / Model_8(4XWT/A) = [4.0] Download980.264.79MKKKNTENVRIIALGGVGEIGKNLYVIEIDSDIFVVDAGLMHPENEMLGIDVVIPDISYLIERADRVKAIFLTHGHDENIGGVFYLLNKLSVPVYGTKLTLALLREKLKQYGHNRKTDLREIHSKSVITFESTKVSFFRTIHSIPDSVGVSFKTSLGSIVCTGDFKFDQTPALNQTCDIGEIAKIGNSGVLALLSDSANAERPGYTPSEAAVSGEISDALYNSQNRVIIAVFASNINRIQQVIHAAAQNGRKIAVAGKNLQSVLQLARKLGYIEADDELFISVQDVKKYPKREVAIITAGSQGEPLAALTRMANKAHKQLNIEEGDTVVIASTPIPGQELIYSKTVDLLARAGAQVIFAQKRVHVSGHGSQEELKLMINLLKPKYLIPVNGEYRMQKAHSKIAEETGMKRSDIFLIEKGDVVEFRGQNVKIGDKVPYGNILIDGLGVGDIGNIVLRDRRLLSQDGILIVVITLDKQKKHLVSGPEIITRGFVYVRESEGLIVQATELVRSIVTEATETSNVEWSTLKQAMRDALNQFLYEKTKRKPMIIPIIMEV
Complex: U5P_A_5(3BK2) / Model_30(3BK2/A) = [4.5] Download697.0812.19MKKKNTENVRIIALGGVGEIGKNLYVIEIDSDIFVVDAGLMHPENEMLGIDVVIPDISYLIERADRVKAIFLTHGHDENIGGVFYLLNKLSVPVYGTKLTLALLREKLKQYGHNRKTDLREIHSKSVITFESTKVSFFRTIHSIPDSVGVSFKTSLGSIVCTGDFKFDQTPALNQTCDIGEIAKIGNSGVLALLSDSANAERPGYTPSEAAVSGEISDALYNSQNRVIIAVFASNINRIQQVIHAAAQNGRKIAVAGKNLQSVLQLARKLGYIEADDELFISVQDVKKYPKREVAIITAGSQGEPLAALTRMANKAHKQLNIEEGDTVVIASTPIPGQELIYSKTVDLLARAGAQVIFAQKRVHVSGHGSQEELKLMINLLKPKYLIPVNGEYRMQKAHSKIAEETGMKRSDIFLIEKGDVVEFRGQNVKIGDKVPYGNILIDGLGVGDIGNIVLRDRRLLSQDGILIVVITLDKQKKHLVSGPEIITRGFVYVRESEGLIVQATELVRSIVTEATETSNVEWSTLKQAMRDALNQFLYEKTKRKPMIIPIIMEV
Complex: U5P_A_5(3BK2) / Model_7(3BK2/A) = [4.5] Download721.9612.19MKKKNTENVRIIALGGVGEIGKNLYVIEIDSDIFVVDAGLMHPENEMLGIDVVIPDISYLIERADRVKAIFLTHGHDENIGGVFYLLNKLSVPVYGTKLTLALLREKLKQYGHNRKTDLREIHSKSVITFESTKVSFFRTIHSIPDSVGVSFKTSLGSIVCTGDFKFDQTPALNQTCDIGEIAKIGNSGVLALLSDSANAERPGYTPSEAAVSGEISDALYNSQNRVIIAVFASNINRIQQVIHAAAQNGRKIAVAGKNLQSVLQLARKLGYIEADDELFISVQDVKKYPKREVAIITAGSQGEPLAALTRMANKAHKQLNIEEGDTVVIASTPIPGQELIYSKTVDLLARAGAQVIFAQKRVHVSGHGSQEELKLMINLLKPKYLIPVNGEYRMQKAHSKIAEETGMKRSDIFLIEKGDVVEFRGQNVKIGDKVPYGNILIDGLGVGDIGNIVLRDRRLLSQDGILIVVITLDKQKKHLVSGPEIITRGFVYVRESEGLIVQATELVRSIVTEATETSNVEWSTLKQAMRDALNQFLYEKTKRKPMIIPIIMEV
Consensus
[pKd Mean = 3.90]
-846
(s=117)
5
(s=6)
MKKKNTENVRIIALGGVGEIGKNLYVIEIDSDIFVVDAGLMHPENEMLGIDVVIPDISYLIERADRVKAIFLTHGHDENIGGVFYLLNKLSVPVYGTKLTLALLREKLKQYGHNRKTDLREIHSKSVITFESTKVSFFRTIHSIPDSVGVSFKTSLGSIVCTGDFKFDQTPALNQTCDIGEIAKIGNSGVLALLSDSANAERPGYTPSEAAVSGEISDALYNSQNRVIIAVFASNINRIQQVIHAAAQNGRKIAVAGKNLQSVLQLARKLGYIEADDELFISVQDVKKYPKREVAIITAGSQGEPLAALTRMANKAHKQLNIEEGDTVVIASTPIPGQELIYSKTVDLLARAGAQVIFAQKRVHVSGHGSQEELKLMINLLKPKYLIPVNGEYRMQKAHSKIAEETGMKRSDIFLIEKGDVVEFRGQNVKIGDKVPYGNILIDGLGVGDIGNIVLRDRRLLSQDGILIVVITLDKQKKHLVSGPEIITRGFVYVRESEGLIVQATELVRSIVTEATETSNVEWSTLKQAMRDALNQFLYEKTKRKPMIIPIIMEV